Predicted ligand
sequences (modelled structure)


ADAN-name: BUD14_1SEM-2.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
A
A
A
A
A
A
A
A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 1.742 ΔGbinding 9.478
TOTAL
11.220
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.511
Van der Waals -3.688 Backbone clash 0.061
Electrostatics -0.098 Helix dipole 0.000
Solvation Polar 3.665 Water bridges 0.000
Solvation Hyd -5.644 Disulfide 0.000
VdW clashes 11.967 Electrost. Kon -0.109
Entropy sc 0.526 Part.cov.bonds 0.000
Entropy mc

2.348

ΔGstability

56.847

       

Predicted ligand sequences for model [BUD14_1SEM-2.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).

 
  BUD14_1SEM-2.PDB  

(data)

# Predicted Sequences Value Calculate
1 RTRHWPRKRY 0.0
2 RTKHWPRKRY 0.01
3 RTRRWPRKRY 0.08
4 RTKRWPRKRY 0.09
5 RTRIWPRKRY 0.09
6 RTLHWPRKRY 0.1
7 RTRHWPRKRH 0.1
8 RTKIWPRKRY 0.11
9 RTKHWPRKRH 0.12
10 RTRHWPRFRY 0.17
11 RTKHWPRFRY 0.18
12 RTLRWPRKRY 0.18
13 RTRRWPRKRH 0.18
14 RTKRWPRKRH 0.19
15 RTRIWPRKRH 0.19
16 RTLIWPRKRY 0.19
17 RTLHWPRKRH 0.2
18 RTRHWPRHRY 0.21
19 RTKIWPRKRH 0.21
20 RTKHWPRHRY 0.22
21 RTRRWPRFRY 0.24
22 RTRIWPRFRY 0.26
23 RTKRWPRFRY 0.26
24 RTLHWPRFRY 0.27
25 RTKIWPRFRY 0.27
26 RTRHWPRFRH 0.27
27 RTLRWPRKRH 0.28
28 RTKHWPRFRH 0.28
29 RTRRWPRHRY 0.29
30 RTLIWPRKRH 0.29
31 RTRIWPRHRY 0.3
32 RTKRWPRHRY 0.3
33 RTLHWPRHRY 0.31
34 RTRHWPRKRW 0.31
35 RTRHWPRHRH 0.31
36 RTKHWPRHRH 0.32
37 RTKIWPRHRY 0.32
38 RTKHWPRKRW 0.33
39 RTLRWPRFRY 0.34
40 RTRRWPRFRH 0.34
41 RTLIWPRFRY 0.36
42 RTRIWPRFRH 0.36
43 RTKRWPRFRH 0.36
44 RTLHWPRFRH 0.37
45 RTKIWPRFRH 0.37
46 RTRHWNRKRY 0.38
47 RTRRWPRKRW 0.39
48 RTRRWPRHRH 0.39
49 RTLRWPRHRY 0.39
50 RTKHWNRKRY 0.39
51 RTKRWPRKRW 0.4
52 RTLIWPRHRY 0.4
53 RTRIWPRKRW 0.4
54 RTRIWPRHRH 0.4
55 RTKRWPRHRH 0.4
56 RTLHWPRHRH 0.41
57 RTLHWPRKRW 0.41
58 RTKIWPRKRW 0.42
59 RTKIWPRHRH 0.42
60 RTLRWPRFRH 0.44
61 RTRRWNRKRY 0.46
62 RTLIWPRFRH 0.46
63 RTRIWNRKRY 0.47
64 RTKRWNRKRY 0.47
65 RTRHWNRKRH 0.48
66 RTKIWNRKRY 0.48
67 RTRHWPRFRW 0.48
68 RTLHWNRKRY 0.48
69 RTLRWPRHRH 0.49
70 RTLRWPRKRW 0.49
71 RTKHWPRFRW 0.49
72 RTKHWNRKRH 0.49
73 RTLIWPRHRH 0.5
74 RTLIWPRKRW 0.5
75 RTRHWPRHRW 0.52
76 RTRHWNRFRY 0.54
77 RTKHWPRHRW 0.54
78 RTRRWPRFRW 0.55
79 RTKHWNRFRY 0.56
80 RTLRWNRKRY 0.56
81 RTRRWNRKRH 0.56
82 RTKRWNRKRH 0.57
83 RTRIWPRFRW 0.57
84 RTRIWNRKRH 0.57
85 RTLIWNRKRY 0.57
86 RTKRWPRFRW 0.57
87 RTLHWPRFRW 0.58
88 RTKIWNRKRH 0.58
89 RTKIWPRFRW 0.58
90 RTLHWNRKRH 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

 

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# Precalculated Models Intraclash ΔGbinding Total
1 RTRRWPRHRY

4.52

-1.53

2.99

2 RTRRWPRFRY

4.49

-1.41

3.08

3 RTLRWPRKRY

3.7

-0.34

3.36

4 RTRRWPRKRY

4.91

-1.52

3.39

5 RTKRWPRFRY

4.28

-0.75

3.53

6 RTKIWPRFRY

4.12

-0.41

3.71

7 RTKRWPRKRY

4.46

-0.68

3.78

8 RTRIWPRKRY

4.61

-0.69

3.92

9 RTLIWPRKRH

5.24

-1.22

4.02

10 RTLRWPRKRH

4.23

-0.14

4.09

11 RTKRWPRKRH

4.66

-0.53

4.13

12 RTRHWPRHRY

4.58

-0.44

4.14

13 RTRRWPRKRH

4.56

-0.32

4.24

14 RTKHWPRKRY

4.38

-0.14

4.24

15 RTLHWPRKRY

4.41

-0.11

4.3

16 RTKHWPRFRH

3.9

0.46

4.36

17 RTRIWPRFRY

5.16

-0.78

4.38

18 RTKHWPRKRH

4.16

0.31

4.47

19 RTKIWPRKRH

4.87

-0.36

4.51

20 RTLIWPRKRY

4.61

-0.05

4.56

21 RTLHWPRKRH

4.5

0.23

4.73

22 RTRHWPRFRH

5.32

-0.49

4.83

23 RTKIWPRKRY

4.76

0.07

4.83

24 RTRHWPRKRY

4.5

0.44

4.94

25 RTRHWPRKRH

4.67

0.3

4.97

26 RTRHWPRFRY

4.61

0.39

5.0

27 RTKHWPRFRY

4.43

0.76

5.19

28 RTLHWPRFRY

4.42

0.83

5.25

29 RTRIWPRKRH

6.18

-0.92

5.26

30 RTKHWPRHRY

4.86

0.77

5.63

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.


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